3-cyclohexyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 4-ethoxy-2-oxidanyl-benzoic acid

Systemtic Name: 3-cyclohexyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 4-ethoxy-2-oxidanyl-benzoic acid Openeye Name: 3-cyclohexyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 4-ethoxy-2-hydroxy-benzoic acid CAS Name: 3-cyclohexyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 4-ethoxy-2-hydroxybenzoic acid IUPAC Name: 3-cyclohexyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 4-ethoxy-2-hydroxybenzoic acid Traditional Name: 3-cyclohexyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 4-ethoxy-2-hydroxy-benzoic acid Formula: C21H24O5 MolecularWeight: 356.41226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C(=O)O)O.C1CCC(CC1)C2=C3C=CC(=C2)O3

Isomeric SMILES

CCOC1=CC(=C(C=C1)C(=O)O)O.C1CCC(CC1)C2=C3C=CC(=C2)O3

InChI

InChI=1S/C12H14O.C9H10O4/c1-2-4-9(5-3-1)11-8-10-6-7-12(11)13-10;1-2-13-6-3-4-7(9(11)12)8(10)5-6/h6-9H,1-5H2;3-5,10H,2H2,1H3,(H,11,12)